Basic information
- CAS
6282-12-8- Standard SMILES
CC(=O)Nc1ccc(C)c(NC(C)=O)c1- InChIKey
XAHUNQAOCGDSBW-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Overview
metabolite of 2,4-toluenediamine in rats
Names & identifiers
- Preferred name
- 2,4-Diacetylaminotoluene
- IUPAC
- N-(3-acetamido-4-methylphenyl)acetamide
- English name
- 2,4-Diacetylaminotoluene
- Molecular formula
- C11H14N2O2
- Molecular weight
- 206.24
Names & synonyms
2,4-Diacetylaminotoluene6282-12-83H583WOQ4ENSC-5961NSC-404379DTXSID40211931Acetamide, N,N'-(4-methyl-1,3-phenylene)bis-N,N'-(4-Methyl-1,3-phenylene)bis(acetamide)RefChem:82241DTXCID70134422n,n'-(4-methyl-1,3-phenylene)diacetamideN-(3-acetamido-4-methylphenyl)acetamide
Show more names
N,N'-(4-methylbenzene-1,3-diyl)diacetamideUNII-3H583WOQ4EOprea1_583467Oprea1_636598SCHEMBL87168832,4-BISACETAMIDOTOLUENESCHEMBL31725340NSC5961
Database identifiers
- CAS
6282-12-8- PubChem CID
- 94871
- DTXSID
DTXSID40211931- UNII
- 3H583WOQ4E
- EC Number
- 990-177-9
- Nikkaji
- J802.426J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- FDA UNII
- 3 H583WOQ4E · 3H583WOQ4E
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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